[(E)-2-methoxy-1-nitro-2-phenylethenyl]benzene

C15H13NO3 — CID 14946043

IUPAC[(E)-2-methoxy-1-nitro-2-phenylethenyl]benzene
SMILESCO/C(=C(\c1ccccc1)[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C15H13NO3/c1-19-15(13-10-6-3-7-11-13)14(16(17)18)12-8-4-2-5-9-12/h2-11H,1H3/b15-14+
InChIKeyHRHYFWPUKBGALJ-CCEZHUSRSA-N
MW255.27 g/mol
LogP3.44
Rot. Bonds4

About [(E)-2-methoxy-1-nitro-2-phenylethenyl]benzene

[(E)-2-methoxy-1-nitro-2-phenylethenyl]benzene (PubChem CID 14946043) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is [(E)-2-methoxy-1-nitro-2-phenylethenyl]benzene.

Molecular Properties

Compound Name[(E)-2-methoxy-1-nitro-2-phenylethenyl]benzene
PubChem CID14946043
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name[(E)-2-methoxy-1-nitro-2-phenylethenyl]benzene
SMILESCO/C(=C(\c1ccccc1)[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C15H13NO3/c1-19-15(13-10-6-3-7-11-13)14(16(17)18)12-8-4-2-5-9-12/h2-11H,1H3/b15-14+
InChIKeyHRHYFWPUKBGALJ-CCEZHUSRSA-N
XLogP3.44
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze [(E)-2-methoxy-1-nitro-2-phenylethenyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-4-[(Z)-2-nitro-2-phenylethenyl]benzene
CID 5833238
Benzene, 1-(1-methoxyethenyl)-4-nitro-
CID 3014201
6-(2,5-Difluorophenyl)-3,4-dihydro-3-methylene-5-nitro-2H-pyran
CID 57519248
6-(2-nitrophenyl)-3,4-dihydro-2H-pyran
CID 11217973
1,2-Diphenyl-2-methoxy-1-nitroethane
CID 129766571
2-Nitro-2,3-diphenyl-oxirane
CID 12246834
Nitrobenzylather
CID 22035196
[Methoxy(nitroso)methyl]benzene
CID 53642879
Dinitrodiphenylcarbinol
CID 53873672
(1,2-Dimethoxy-1-nitroethyl)benzene
CID 88921115
(1-Nitro-1-phenylpropyl) formate
CID 91068475
3-methylidene-5-nitro-6-(2,3,4-trifluorophenyl)-4H-pyran
CID 66810496

Frequently Asked Questions

What is the IUPAC name of [(E)-2-methoxy-1-nitro-2-phenylethenyl]benzene?
The IUPAC name of [(E)-2-methoxy-1-nitro-2-phenylethenyl]benzene (CID 14946043) is [(E)-2-methoxy-1-nitro-2-phenylethenyl]benzene.
What is the SMILES notation for [(E)-2-methoxy-1-nitro-2-phenylethenyl]benzene?
The canonical SMILES for [(E)-2-methoxy-1-nitro-2-phenylethenyl]benzene is CO/C(=C(\c1ccccc1)[N+](=O)[O-])c1ccccc1.
What is the InChIKey of [(E)-2-methoxy-1-nitro-2-phenylethenyl]benzene?
The InChIKey is HRHYFWPUKBGALJ-CCEZHUSRSA-N. The full InChI is InChI=1S/C15H13NO3/c1-19-15(13-10-6-3-7-11-13)14(16(17)18)12-8-4-2-5-9-12/h2-11H,1H3/b15-14+.
What are the key properties of [(E)-2-methoxy-1-nitro-2-phenylethenyl]benzene?
[(E)-2-methoxy-1-nitro-2-phenylethenyl]benzene has a molecular weight of 255.27 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-methoxy-1-nitro-2-phenylethenyl]benzene is sourced from PubChem (CID 14946043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).